(5-amino-1H-1,2,4-triazol-3-yl)methanol

HCID 222697CAS 27277-03-8

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Grundinformationen

Standard-SMILES: Nc1n[nH]c(CO)n1
InChIKey: WQWSMVWRGAFPJX-UHFFFAOYSA-N
Summenformel: C3H6N4O
Durchschnittliche Molmasse: 114,11 g/mol
Monoisotopische Masse: 114,05416083

Namen und Bezeichner

Bevorzugter Name: (5-amino-1H-1,2,4-triazol-3-yl)methanol
IUPAC: (3-amino-1H-1,2,4-triazol-5-yl)methanol
Englischer Name: (5-Amino-1H-[1,2,4]triazol-3-yl)-methanol
Summenformel: C3H6N4O
Molmasse: 114.11

Namen und Synonyme

(5-amino-1H-1,2,4-triazol-3-yl)methanolRefChem:403776803-426-227277-03-8(5-Amino-1H-[1,2,4]triazol-3-yl)-methanol(3-amino-1H-1,2,4-triazol-5-yl)methanolMFCD029331805-amino-1H-1,2,4-Triazole-3-methanol(5-amino-4H-1,2,4-triazol-3-yl)methanolF3412-0009(5-amino-1H-1,2,4-triazol-3-yl)methan-1-ol1h-1,2,4-triazole-3-methanol, 5-amino-

Weitere Namen anzeigen

SKL3943-aMino-5-hydroxyMethyl-s-triazole3-aMino-5-hydroxyMethyl-1,2,4-triazole(3-amino-3H-1,2,4-triazol-5-yl)methanol

NSC513582SCHEMBL1464442SCHEMBL1930807SCHEMBL2868195SCHEMBL2868201CHEMBL3546138DTXSID50950001SMSSF-0113500

Datenbank-Bezeichner

CAS: 27277-03-8、63870-39-3
PubChem CID: 222697
DTXSID: DTXSID50950001
ChEMBL: CHEMBL3546138
EC Number: 803-426-2
Nikkaji: J39.077A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 87,8 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 77

Physikochemische Eigenschaften

Siedepunkt: 461.3 · 461.3±47.0 °C(Predicted)
Dichte: 1.623 · 1.623±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 11.14 · 11.14±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.